Glycoside
GD127663
Name:
5-{[4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl]oxy}-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C27H32O14Smiles:
COc1cc(C=CC(=O)COC2C=C(CO)C3C(OC4OC(CO)C(O)C(O)C4O)OC=C(C(=O)O)C23)ccc1OAglycone:
COc1cc(C=CC(=O)COC2C=C(CO)C3C(O)OC=C(C(=O)O)C23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 221.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD51696
Formula: C21H22O9
Smiles:
COc1cc(C=CC(=O)COC2C=C(CO)C3C(O)OC=C(C(=O)O)C23)ccc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
